CID 344200

Illudin s

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=C2[C@H]([C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO)O
InChI
InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1
InChIKey
DDLLIYKVDWPHJI-RDBSUJKOSA-N
Compound name
(1R,2S,5R)-1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

48
References

428
Patents

264.13617 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.8
[M+Na]+ 287.12539 171.5
[M+NH4]+ 282.16999 171.8
[M+K]+ 303.09933 164.6
[M-H]- 263.12889 167.8
[M+Na-2H]- 285.11084 168.2
[M]+ 264.13562 165.3
[M]- 264.13672 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe